SCHEMBL23928616

SCHEMBL23928616

COC(=O)c1cn(-c2ccccc2)nc1-c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.77
CA12 O43570 13/20 0.73
CA9 Q16790 13/20 0.73
CA1 P00915 7/20 0.73
CA2 P00918 7/20 0.73
ALDH1A1 P00352 2/20 0.72
KMT2A Q03164 2/20 0.72
L3MBTL1 Q9Y468 2/20 0.72
MEN1 O00255 1/20 0.72
MAPK1 P28482 1/20 0.63
ATM Q13315 1/20 0.58
AURKA O14965 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23928591 0.88 CA12 (0.82) MAPTCA12CA9CA1CA2
SCHEMBL23928668 0.88 CA12 (0.80) MAPTCA12CA9CA1CA2
SCHEMBL23928482 0.87 CA12 (0.80) MAPTCA12CA9CA1CA2
SCHEMBL12264890 0.87 MAPT (1.00) MAPTCA12CA9CA1CA2
SCHEMBL23928640 0.87 CA12 (0.63) MAPTCA12CA9CA1CA2
SCHEMBL23928637 0.85 CA12 (0.62) MAPTCA12CA9CA1CA2
SCHEMBL23928554 0.85 CA12 (0.72) MAPTCA12CA9CA1CA2
SCHEMBL23928575 0.85 CA12 (0.66) MAPTCA12CA9CA1CA2
SCHEMBL23928474 0.84 MAPT (0.55) MAPTCA12CA9CA1CA2
SCHEMBL22095314 0.84 AURKA (0.76) MAPTCA12CA9ALDH1A1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548875-B2 Inhibitor compounds for male contraception UNIVERSITY OF WASHINGTON (US) 2023-01-10 US disclosed
US-20210332030-A1 INHIBITOR COMPOUNDS FOR MALE CONTRACEPTION UNIVERSITY OF WASHINGTON (US) 2021-10-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210332030-A1 INHIBITOR COMPOUNDS FOR MALE CONTRACEPTION ALDH1A1, ALDH3A1, ALDH16A1 MAPT 4083/4885CA12 4702/4885CA9 4751/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 MAPT 4083/4885CA12 4702/4885CA9 4751/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.